Identification
| Names | e-Viniferin |
|---|---|
| Class | Stilbenes |
| Sub-Class | Stilbenes |
| Family | Stilbene dimers |
| Synonyms | Not Available |
| Chemical Formula | C28H22O6 |
| Aglycones | d-Viniferin |
| PubChem ID | 5281728 |
| CAS ID | 62218-08-0 |
| ChEBI ID | 10556 |
| SMILES | OC1=CC=C(C=CC2=C3[C@H]([C@@H](OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1 |
e-Viniferin
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Topological Polar Surface Area | miLogP | Heavy Atom Count | Rotatable Count | Molecular Volume |
|---|---|---|---|---|---|---|---|
| 454.48 | 5 | 6 | 110.37 | 4.77 | 34 | 4 | 397.57 |
ADME Predicted Parameters*
| Alogp98 | Polar Surface Area | Absorption | Plasma Protein Binding | Blood Brain Barrier | CYP2D6 |
|---|---|---|---|---|---|
| 5.628 | 113.007 | Low | Binder | Undefined | Non - Inhibitor |
Toxicity Predicted Parameters*
| Software | Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Sensitisation | Hepatotoxicity |
|---|---|---|---|---|---|
| Derek Nexus | Equivocal | No Hit | No Hit | Plausible | No Hit |
| TOPKAT | Non - Carcinogen | Toxic | Non - Mutagen | None | Non - Toxic |
| VEGA | Non - Carcinogen | Toxicant | Non - Mutagen | Non - Sensitizer | Toxic |
* The values predicted by softwares. ADME - TOPKAT, Toxicity - Derek Nexus, TOPKAT and VEGA.